5QTE
T. brucei FPPS in complex with CID 4563894
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-20 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.967700 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 60.583, 60.583, 341.208 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 56.868 - 2.072 |
R-factor | 0.2548 |
Rwork | 0.253 |
R-free | 0.28260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | pdbid 4ryp |
Data reduction software | XDS (20180808) |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER (2.8.2) |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.868 | 2.257 |
High resolution limit [Å] | 2.072 | 2.072 |
Rmerge | 0.343 | 2.733 |
Rmeas | 0.322 | 2.549 |
Rpim | 0.052 | 0.397 |
Total number of observations | 586997 | 87927 |
Number of reflections | 17265 | 2175 |
<I/σ(I)> | 14.6 | 2.4 |
Completeness [%] | 72.3 | 16.6 |
Redundancy | 36.5 | 23.4 |
CC(1/2) | 0.998 | 0.872 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.12 M CsCl 12 % w/v PEG 3350, 12 % v/v DMSO |